SCHEMBL20202491

SCHEMBL20202491

CN1CCN(C(=O)C(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 1.00
CHRM1 P11229 5/20 0.55
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTR1E P28566 1/20 0.50
KMT2A Q03164 1/20 0.50
S1PR3 Q99500 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20202492 0.99 CHRM3 (1.00) CHRM3CHRM1MEN1LMNAMAPT
SCHEMBL18199755 0.94 CHRM3 (1.00) CHRM3CHRM1MEN1LMNAMAPT
SCHEMBL15127557 0.84 CHRM3 (0.74) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL11083565 0.83 CHRM3 (0.71) CHRM3TP53MEN1LMNAMAPT
SCHEMBL27933777 0.82 CHRM3 (0.72) CHRM3TP53MEN1LMNAMAPT
SCHEMBL18199757 0.82 CHRM3 (1.00) CHRM3TP53MEN1LMNAMAPT
SCHEMBL20412693 0.82 CHRM3 (0.71) CHRM3CHRM1CYP2D6
SCHEMBL11084994 0.81 CHRM3 (0.70) CHRM3MEN1LMNAMAPTHTR1E
SCHEMBL3636177 0.81 CHRM3 (0.69) CHRM3CHRM1MEN1LMNAMAPT
SCHEMBL4875979 0.81 CHRM3 (0.67) CHRM3CHRM1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288926-B1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME UNILEVER PLC (GB) 2021-01-20 EP disclosed
US-20180148425-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME CONOPCO, INC., D/B/A UNILEVER (US) 2018-05-31 US disclosed
US-20180148425-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME CONOPCO, INC., D/B/A UNILEVER (US) 2018-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180148425-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME MKI67, CUTA, PLP2 CHRM3 3141/4885CHRM1 3549/4885TP53 1443/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.